ChemDiv3_006541
TL;DR: ChemDiv3_006541 (CAS 780777-93-7) is a chemical compound with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-amino-11-(4-ethoxyphenyl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile
Also Known As: ChemDiv3_006541, IDI1_024451, BRD-A00404060-001-01-6, 2-amino-4-(4-ethoxyphenyl)-8,10-dimethyl-7-oxo-4,7-dihydrofuro[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-ethoxyphenyl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
| Molecular Formula | C23H20N2O4 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 4.02672 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1423 |
| Heavy Atoms | 29 |
| Complexity | 1247.0836 |
Chemical Identifiers
| CAS Number | 780777-93-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(C4=C(OC(=C4C(=O)C=C3)C)C)OC(=C2C#N)N |
Product Overview
ChemDiv3_006541 (CAS 780777-93-7), with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol. IUPAC: 13-amino-11-(4-ethoxyphenyl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile.
Chemical Property Profile of ChemDiv3_006541
Property Insights of ChemDiv3_006541
The XLogP value of 4.02672 indicates that ChemDiv3_006541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006541. Following Lipinski's Rule of Five, ChemDiv3_006541 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_006541?
The CAS number of ChemDiv3_006541 is 780777-93-7.
What is the molecular formula of ChemDiv3_006541?
The molecular formula of ChemDiv3_006541 is C23H20N2O4.
What is the molecular weight of ChemDiv3_006541?
The molecular weight of ChemDiv3_006541 is 388.14 g/mol.
Where can I buy ChemDiv3_006541?
You can request a quote for ChemDiv3_006541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006541?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.